SCHEMBL376816

SCHEMBL376816

NCCSc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPK1 P28482 1/20 0.70
CYP1A2 P05177 6/20 0.48
CYP2C19 P33261 6/20 0.48
CYP2D6 P10635 5/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 1/20 0.47
KIF11 P52732 2/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3671919 0.97 ALDH1A1 (0.67) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
Bromide SCHEMBL11192119 0.97 ALDH1A1 (0.67) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
Phosphoric Acid SCHEMBL11703957 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL3667550 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL5013983 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL1111714 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL7362808 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL776647 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL8914849 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL13192566 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP2C19CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 312 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-4415591-A MIXTURE WITH A MONOAMINE OXIDASE GEORGIA TECH RESEARCH INSTITUTE (US) 1983-11-15 US claimed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US claimed
EP-4662326-A1 LIGAND-ENABLED TRANSANNULAR C-H FUNCTIONALIZATION OF CYCLOALKANE CARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-12-17 EP disclosed
CN-119823061-A Synthetic method of 3-trifluoromethyl-1, 4-benzoxazepine compound 南通大学 2025-04-15 CN disclosed
CN-117946028-B Synthesis method of 1, 4-benzothiazepine compound 南通大学 2024-09-24 CN disclosed
WO-2024167810-A1 LIGAND-ENABLED TRANSANNULAR C-H FUNCTIONALIZATION OF CYCLOALKANE CARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-08-15 WO disclosed
CN-117946028-A Synthesis method of 1, 4-benzothiazepine compound 南通大学 2024-04-30 CN disclosed
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
CN-117626700-A Papermaking belt 市川株式会社 2024-03-01 CN disclosed
EP-0053015-A1 1-Phenylthio-2-aminopropane derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed
US-4233309-A Novel 1-substituted-3-acylpyrrole derivatives, platelet aggregation inhibitors containing them, as active ingredients, and processes for production of said derivatives TEIJIN LIMITED (JP) 1980-11-11 US disclosed
US-4217305-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-08-12 US disclosed
EP-0002392-A2 1-substituted-3-acylpyrrole derivatives, process for their preparation and platelet aggregation inhibiting agents containing them TEIJIN LIMITED (JP) 1979-06-13 EP disclosed
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US disclosed
US-4001284-A PRIMARY AMINES, 2,4-DIPHENOXY-5-SULFAMOYLBENZOIC ACID HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885MAPK1 1608/4885CYP1A2 413/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF ALDH1A1 446/4885MAPK1 2482/4885CYP1A2 523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.